1.0 2020-03-25 16:39:46 UTC 2020-05-20 22:30:31 UTC BMDB0097109 TG(14:0/18:0/20:1(11Z)) 1-Myristoyl-2-stearoyl-3-eicosenoyl-glycerol 1-Tetradecanoyl-2-octadecanoyl-3-(11-eicosenoyl)-glycerol TAG(14:0/18:0/20:1) TAG(52:1) TG(14:0/18:0/20:1) TG(52:1) Tracylglycerol(14:0/18:0/20:1) Tracylglycerol(52:1) Triacylglycerol Triglyceride TG(14:0/18:0/20:1(11Z)) C55H104O6 861.431 860.783291069 (2S)-2-(octadecanoyloxy)-3-(tetradecanoyloxy)propyl (11Z)-icos-11-enoate (2S)-2-(octadecanoyloxy)-3-(tetradecanoyloxy)propyl (11Z)-icos-11-enoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h24,26,52H,4-23,25,27-51H2,1-3H3/b26-24-/t52-/m0/s1 XAHIOANDCGMLLU-QYJPBPLVSA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Triacylglycerols Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.70 ALOGPS logs -7.90 ALOGPS logp 20.34 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(octadecanoyloxy)-3-(tetradecanoyloxy)propyl (11Z)-icos-11-enoate ChemAxon average_mass 861.431 ChemAxon mono_mass 860.783291069 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C55H104O6 ChemAxon inchi InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h24,26,52H,4-23,25,27-51H2,1-3H3/b26-24-/t52-/m0/s1 ChemAxon inchikey XAHIOANDCGMLLU-QYJPBPLVSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 260.81 ChemAxon polarizability 116.14 ChemAxon rotatable_bond_count 53 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 640846 Specdb::MsMs 640847 Specdb::MsMs 640848 Specdb::MsMs 2336869 Specdb::MsMs 2336870 Specdb::MsMs 2336871 Specdb::MsMs 2529354 Specdb::MsMs 2529355 Specdb::MsMs 2529356 Specdb::MsMs 2628761 Specdb::MsMs 2628762 Specdb::MsMs 2628763 Specdb::MsMs 2640364 Specdb::MsMs 2640365 Specdb::MsMs 2640366 Specdb::MsMs 2744079 Specdb::MsMs 2744080 Specdb::MsMs 2744081